SCHEMBL11525834

SCHEMBL11525834

CCN(CC)CCOc1c(C(C)C)cc(C(=O)CC(c2ccccc2)c2ccccc2)cc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP3A4 P08684 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.47
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
GLRA1 P23415 1/20 0.44
CHRM2 P08172 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 2/20 0.43
CHRM4 P08173 1/20 0.43
MCHR1 Q99705 2/20 0.42
KMT2A Q03164 1/20 0.42
PPARA Q07869 1/20 0.41
ESR1 P03372 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11529632 0.86 LMNA (0.50) LMNACYP1A2CYP2D6ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11528321 0.85 ALDH1A1 (0.51) LMNACYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL11530069 0.81 PPARA (0.48) LMNACYP1A2CYP2D6ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11533364 0.80 CYP3A4 (0.48) LMNACYP1A2CYP2D6ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11532543 0.80 PPARA (0.45) LMNACYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL11529384 0.80 THRA (0.47) LMNACYP1A2CYP2D6ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11529358 0.79 THRA (0.46) LMNACYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL11533260 0.77 THRA (0.49) LMNACYP1A2CYP2D6ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL11525641 0.76 THRA (0.48) LMNACYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL11528211 0.75 MAOB (0.41) LMNACYP1A2CYP2D6ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4140770-A Benzoylethers and processes for their production A. NATTERMANN & CIE. GMBH (DE) 1979-02-20 US disclosed